SCHEMBL2552858

SCHEMBL2552858

C/C=C(\C)C(=O)NCCC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
EPHX1 P07099 2/20 0.40
PAOX Q6QHF9 1/20 0.39
MCL1 Q07820 1/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
KDM4C Q9H3R0 1/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CNR1 P21554 1/20 0.34
PLA2G2A P14555 1/20 0.33
EPHX2 P34913 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2552861 1.00 MMP1 (0.41) MMP1MMP2MMP3MMP9EPHX1
SCHEMBL20849927 0.86 EPHX1 (0.48) MMP2EPHX1PLA2G2AEPHX2
SCHEMBL13464622 0.83 KDM4E (0.44) EPHX1PAOXNPC1RAB9ASMN1; SMN2
SCHEMBL3414867 0.82
SCHEMBL10338007 0.82 MMP1 (0.39) MMP1MMP2MMP3MMP9EPHX1
SCHEMBL10338006 0.82 MMP1 (0.39) MMP1MMP2MMP3MMP9EPHX1
Bromide SCHEMBL28662797 0.81 EPHX1 (0.55) EPHX1KDM4EPLA2G2AEPHX2
SCHEMBL28252991 0.81 APEX1 (0.43) NPC1RAB9ASMN1; SMN2GAAMAPT
SCHEMBL909866 0.80
SCHEMBL15502243 0.80

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011130370-A1 POLYMERS HAVING ACID AND AMIDE MOIETIES, AND USES THEREOF ISP INVESTMENTS INC. (US) 2011-10-20 WO disclosed